Geometry & MOs

Info

ID:	241400
PubChem CID:	96023347
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	2.69
IP(EA), eV:	-8.93(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-[(R)-(2-fluorophenyl)-hydroxymethyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1[N+](=O)[O-])N2CCC(CC2)C(=O)NC3CC3

DOS

IR

Vibrations